5,6,7,8,9,10-Hexahydrobenzocyclooctene
TL;DR: 5,6,7,8,9,10-Hexahydrobenzocyclooctene (CAS 1076-69-3) is a chemical compound with molecular formula C1CCCC2=CC=CC=C2CC1 and molecular weight 160.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6,7,8,9,10-hexahydrobenzo[8]annulene
Also Known As: Benzocyclooctane, 5,6,7,8,9,10-Hexahydrobenzocyclooctene, 5,6,7,8,9,10-hexahydrobenzo[8]annulene, Benzocyclooctene,5,6,7,8,9,10-hexahydro-, benzocyclooctene, 5,6,7,8,9,10-hexahydro-
| Molecular Formula | C1CCCC2=CC=CC=C2CC1 |
|---|---|
| Molecular Weight | 160.13 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 160.1252 |
| Heavy Atoms | 12 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 1076-69-3 |
|---|---|
| SMILES | C1CCCC2=CC=CC=C2CC1 |
| InChIKey | ADKYNRATSQVVPJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,6,7,8,9,10-Hexahydrobenzocyclooctene (CAS 1076-69-3), with molecular formula C1CCCC2=CC=CC=C2CC1 and molecular weight 160.13 g/mol. IUPAC: 5,6,7,8,9,10-hexahydrobenzo[8]annulene.
Chemical Property Profile of 5,6,7,8,9,10-Hexahydrobenzocyclooctene
Property Insights of 5,6,7,8,9,10-Hexahydrobenzocyclooctene
The XLogP value of 4.6 indicates that 5,6,7,8,9,10-Hexahydrobenzocyclooctene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 5,6,7,8,9,10-Hexahydrobenzocyclooctene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6,7,8,9,10-Hexahydrobenzocyclooctene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5,6,7,8,9,10-Hexahydrobenzocyclooctene?
The CAS number of 5,6,7,8,9,10-Hexahydrobenzocyclooctene is 1076-69-3.
What is the molecular formula of 5,6,7,8,9,10-Hexahydrobenzocyclooctene?
The molecular formula of 5,6,7,8,9,10-Hexahydrobenzocyclooctene is C1CCCC2=CC=CC=C2CC1.
What is the molecular weight of 5,6,7,8,9,10-Hexahydrobenzocyclooctene?
The molecular weight of 5,6,7,8,9,10-Hexahydrobenzocyclooctene is 160.13 g/mol.
Where can I buy 5,6,7,8,9,10-Hexahydrobenzocyclooctene?
You can request a quote for 5,6,7,8,9,10-Hexahydrobenzocyclooctene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6,7,8,9,10-Hexahydrobenzocyclooctene?
Yes, KEHONG BIO provides custom synthesis services for 5,6,7,8,9,10-Hexahydrobenzocyclooctene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.